N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide

C33H41N3O2 — CID 16993587

About N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide

N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide (PubChem CID 16993587) has the molecular formula C33H41N3O2 and a molecular weight of 511.71 g/mol. Its IUPAC name is N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
• PubChem CID: 16993587
• Molecular Formula: C33H41N3O2
• Molecular Weight: 511.71 g/mol
• Exact Mass: 511.32
• IUPAC Name: N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
• SMILES: Cc1ccc(OCCCCn2c(CCCCCNC(=O)Cc3ccccc3C)nc3ccccc32)c(C)c1
• InChI: InChI=1S/C33H41N3O2/c1-25-18-19-31(27(3)23-25)38-22-12-11-21-36-30-16-9-8-15-29(30)35-32(36)17-5-4-10-20-34-33(37)24-28-14-7-6-13-26(28)2/h6-9,13-16,18-19,23H,4-5,10-12,17,20-22,24H2,1-3H3,(H,34,37)
• InChIKey: VZLIHKMYALWMTF-UHFFFAOYSA-N
• XLogP: 6.89
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.71
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide?

The IUPAC name of N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide (CID 16993587) is N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide.

What is the SMILES notation for N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide?

The canonical SMILES for N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide is Cc1ccc(OCCCCn2c(CCCCCNC(=O)Cc3ccccc3C)nc3ccccc32)c(C)c1.

What is the InChIKey of N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide?

The InChIKey is VZLIHKMYALWMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O2/c1-25-18-19-31(27(3)23-25)38-22-12-11-21-36-30-16-9-8-15-29(30)35-32(36)17-5-4-10-20-34-33(37)24-28-14-7-6-13-26(28)2/h6-9,13-16,18-19,23H,4-5,10-12,17,20-22,24H2,1-3H3,(H,34,37).

What are the key properties of N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide?

N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide has a molecular weight of 511.71 g/mol, XLogP of 6.89, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 16993587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).